Now showing items 1-2 of 2
Conformational preferences of diallylamine: A rotational spectroscopic and theoretical study
(Journal of Chemical Physics, 2021-04-23)
The conformational space of diallylamine (DAA) was investigated using rotational spectroscopy from 7–19 GHz aided by quantum chemical calculations. Extensive conformational searches using density functional theory B3LYP-D3(BJ) ...
Targeting the rich conformational landscape of N-allylmethylamine using rotational spectroscopy and quantum mechanical calculations
The highly variable conformational landscape of N-allylmethylamine (AMA) was investigated using Fourier transform microwave spectroscopy aided by high-level theoretical calculations to understand the energy relationship ...